Information card for entry 7115016

Structure parameters

• Formula: C56 H80 Cu4.12 N10 O21
• Calculated formula: C56 H64 Cu4.12 N10.012 O16.006
• Title of publication: Site-selectivity in a heterotetranuclear macrocyclic complex
• Authors of publication: Cromie, Sarah; McKee, Vickie; Launay, Frédéric
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1918
• a: 11.2527 ± 0.0007 Å
• b: 13.2136 ± 0.0008 Å
• c: 13.8116 ± 0.0009 Å
• α: 104.974 ± 0.001°
• β: 100.755 ± 0.001°
• γ: 111.187 ± 0.001°
• Cell volume: 1758.16 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.689 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No